6-(pyrrolidin-1-yl)pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 240646
• Molecular Formular: C10H16Cl2N4
• Molecular Mass: 263.16684
• Monoisotopic Mass: 262.07520189
• SMILES: c1(ncc(C(=N)N)cc1)N1CCCC1.Cl.Cl
• Canonical SMILES: NC(=N)c1ccc(nc1)N1CCCC1.Cl.Cl
• InChI: InChI=1S/C10H14N4.2ClH/c11-10(12)8-3-4-9(13-7-8)14-5-1-2-6-14;;/h3-4,7H,1-2,5-6H2,(H3,11,12);2*1H
• InChIKey: NOOSTHKGRDQLLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyrrolidin-1-yl)pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-(pyrrolidin-1-yl)pyridine-3-carboximidamide dihydrochloride
• Synonyms: 6-(pyrrolidin-1-yl)pyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD22392187
• PubChem SID: 164296556
• PubChem CID: 71756599

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6309389
• LogD (pH = 7.4): -1.6149794
• Log P: 0.78434074
• Molar Refractivity: 67.8567 cm^3
• Polarizability: 20.89686 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.501

Product Information

• Purity: 95%